N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=C(O4)CO

InChI

InChI=1S/C24H30N4O3/c29-18-22-10-9-21(31-22)17-27-15-12-20(13-16-27)28-23(11-14-25-28)26-24(30)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-11,14,20,29H,4,7-8,12-13,15-18H2,(H,26,30)/p+1